CID 210946

N-(3-chlorophenyl)-beta-methyl-n-4-pyridinyl-4-morpholinepropanamine (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C19H24ClN3O
SMILES
CC1=C(C=C(C=C1)Cl)N(CCCN2CCOCC2)C3=CC=NC=C3
InChI
InChI=1S/C19H24ClN3O/c1-16-3-4-17(20)15-19(16)23(18-5-7-21-8-6-18)10-2-9-22-11-13-24-14-12-22/h3-8,15H,2,9-14H2,1H3
InChIKey
LDHZKLRTAHAMLB-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16808 184.4
[M+Na]+ 368.15002 188.9
[M-H]- 344.15352 191.5
[M+NH4]+ 363.19462 193.9
[M+K]+ 384.12396 184.4
[M+H-H2O]+ 328.15806 172.8
[M+HCOO]- 390.15900 197.3
[M+CH3COO]- 404.17465 193.2
[M+Na-2H]- 366.13547 187.4
[M]+ 345.16025 184.6
[M]- 345.16135 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.